SCHEMBL4254896

SCHEMBL4254896

O=C(CS)Nc1ccc(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.55
FUCA1 P04066 1/20 0.55
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 2/20 0.53
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29268504 0.84 RAB9A (0.60) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL7933341 0.83 NPC1 (0.58) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL30381367 0.82 PKM (0.60) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL30986310 0.82 RAB9A (0.59) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL30938481 0.82 RAB9A (0.59) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL5226832 0.82 PKM (0.60) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL6036198 0.82 RAB9A (0.59) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL263278 0.82 RAB9A (0.59) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL4254892 0.82 RAB9A (0.59) RAB9APOLBTDP1MEN1KMT2A
SCHEMBL8234531 0.82 RAB9A (0.63) RAB9APOLBTDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed